(3R)-3-[(2S)-2-methylbut-3-enyl]pyrrolidin-2-one

C9H15NO — CID 163537974

IUPAC(3R)-3-[(2S)-2-methylbut-3-enyl]pyrrolidin-2-one
SMILESC=C[C@@H](C)C[C@@H]1CCNC1=O
InChIInChI=1S/C9H15NO/c1-3-7(2)6-8-4-5-10-9(8)11/h3,7-8H,1,4-6H2,2H3,(H,10,11)/t7-,8+/m1/s1
InChIKeyBFRWTKPZANHLFA-SFYZADRCSA-N
MW153.22 g/mol
LogP1.33
Rot. Bonds3

About (3R)-3-[(2S)-2-methylbut-3-enyl]pyrrolidin-2-one

(3R)-3-[(2S)-2-methylbut-3-enyl]pyrrolidin-2-one (PubChem CID 163537974) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3R)-3-[(2S)-2-methylbut-3-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(2S)-2-methylbut-3-enyl]pyrrolidin-2-one
PubChem CID163537974
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3R)-3-[(2S)-2-methylbut-3-enyl]pyrrolidin-2-one
SMILESC=C[C@@H](C)C[C@@H]1CCNC1=O
InChIInChI=1S/C9H15NO/c1-3-7(2)6-8-4-5-10-9(8)11/h3,7-8H,1,4-6H2,2H3,(H,10,11)/t7-,8+/m1/s1
InChIKeyBFRWTKPZANHLFA-SFYZADRCSA-N
XLogP1.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminopropyl)pyrrolidin-2-one
CID 82651299
3-[2-(oxidoamino)propyl]pyrrolidin-2-one
CID 176958706
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide;prop-1-ene
CID 166112266
3-[2-(methylamino)-2-(propan-2-ylamino)ethyl]pyrrolidin-2-one
CID 176958856
(3R)-3-[(propan-2-ylamino)methyl]pyrrolidin-2-one
CID 170365434
3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one
CID 130843908
3-[(2S)-3-hydroxy-2-(methylamino)propyl]pyrrolidin-2-one
CID 58593524
S-[(2S)-2-methyl-3-[(3R)-2-oxopyrrolidin-3-yl]propyl] ethanethioate
CID 163751383
(3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one
CID 170008578
3-(2-aminobut-3-ynyl)pyrrolidin-2-one;methanol
CID 171843230
(3S)-3-[(2S)-2-aminobut-3-ynyl]pyrrolidin-2-one
CID 162695973
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166112267

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2S)-2-methylbut-3-enyl]pyrrolidin-2-one?
The IUPAC name of (3R)-3-[(2S)-2-methylbut-3-enyl]pyrrolidin-2-one (CID 163537974) is (3R)-3-[(2S)-2-methylbut-3-enyl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[(2S)-2-methylbut-3-enyl]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[(2S)-2-methylbut-3-enyl]pyrrolidin-2-one is C=C[C@@H](C)C[C@@H]1CCNC1=O.
What is the InChIKey of (3R)-3-[(2S)-2-methylbut-3-enyl]pyrrolidin-2-one?
The InChIKey is BFRWTKPZANHLFA-SFYZADRCSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-7(2)6-8-4-5-10-9(8)11/h3,7-8H,1,4-6H2,2H3,(H,10,11)/t7-,8+/m1/s1.
What are the key properties of (3R)-3-[(2S)-2-methylbut-3-enyl]pyrrolidin-2-one?
(3R)-3-[(2S)-2-methylbut-3-enyl]pyrrolidin-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2S)-2-methylbut-3-enyl]pyrrolidin-2-one is sourced from PubChem (CID 163537974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).